%chk=000155228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155228

0 1
 S   -1.706700      -3.429300     -0.5042000    
 O   0.6568000       1.216000     -0.2582000    
 O   -1.791500      -2.151500       1.801400    
 O  -8.0000004E-03 -0.3969000      -1.752200    
 N   -1.283500      0.1461000      0.1084000    
 N   -7.239900       3.235700      0.1161000    
 C   -3.671500     -0.2172000      0.4748000    
 C   -4.147800       1.043200     -0.2524000    
 C   -2.371400     -0.7777000     -0.1070000    
 C   -5.485500       1.534700      0.3066000    
 C   -5.976200       2.771600     -0.4440000    
 C   -1.948500      -2.060700      0.5888000    
 C  -0.1949000      0.2580000     -0.7319000    
 C  -0.4345000      -4.345700      0.3919000    
 C   0.9365000      -3.763800      0.1838000    
 C    1.838100       1.440800      -1.035900    
 C    2.657700       2.514600     -0.3824000    
 C    1.413500      -2.776700       1.046400    
 C    1.731600      -4.211400     -0.8714000    
 C    2.454100       3.851900     -0.7233000    
 C    3.622600       2.175800      0.5662000    
 C    2.685300      -2.237100      0.8536000    
 C    3.003300      -3.671800      -1.064000    
 C    3.480200      -2.684600     -0.2014000    
 C    3.215600       4.850200     -0.1159000    
 C    4.384000       3.174300       1.173700    
 C    4.180500       4.511400      0.8327000    
 H   -3.545600      6.0000001E-03   1.542600    
 H   -4.449700     -0.9886000      0.4109000    
 H   -3.400300       1.839400     -0.1558000    
 H   -4.255900      0.8283000      -1.322600    
 H   -2.488200     -0.9404000      -1.184500    
 H   -5.371600       1.766600       1.373100    
 H   -6.231300      0.7335000      0.2281000    
 H   -6.112500       2.541300      -1.506300    
 H   -5.236500       3.575900     -0.3690000    
 H   -1.286700      0.7130000      0.9514000    
 H   -7.944400       2.504700      2.6100000E-02
 H   -7.579600       4.028200     -0.4272000    
 H  -0.4483000      -5.379600      2.7000001E-02
 H  -0.6724000      -4.411700       1.459600    
 H    1.559500       1.743800      -2.052800    
 H    2.417900      0.5123000      -1.106500    
 H   0.8155000      -2.423700       1.880900    
 H    1.371900      -4.979000      -1.551600    
 H    1.703800       4.128600      -1.459200    
 H    3.789300       1.137800      0.8414000    
 H    3.057000      -1.469400       1.525900    
 H    3.622200      -4.019500      -1.886000    
 H    4.469900      -2.263600     -0.3517000    
 H    3.056800       5.891400     -0.3808000    
 H    5.135000       2.910700       1.912600    
 H    4.773200       5.288800       1.306000    


%chk=000155228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155228

0 1
S -1.511916 -3.284301 -0.116483
O 0.731393 2.438904 -0.309216
O -0.299478 -1.607436 1.687984
O -0.502291 1.443097 -2.060901
N -0.616485 0.671380 0.158867
N -7.142582 2.594937 -0.387048
C -2.990102 -0.179934 0.317343
C -3.616664 1.006389 -0.445418
C -1.512366 -0.455600 -0.112462
C -5.091136 1.236073 -0.046623
C -5.735157 2.417138 -0.801451
C -0.985614 -1.688189 0.640486
C -0.167964 1.497934 -0.847061
C -0.771938 -4.502123 1.177786
C 0.555641 -5.077933 0.752651
C 1.306241 3.391944 -1.315893
C 2.212336 4.341301 -0.571386
C 1.757416 -4.362651 0.999810
C 0.625897 -6.341098 0.110552
C 1.744892 5.617366 -0.169587
C 3.545133 3.968990 -0.261637
C 3.002223 -4.900721 0.608158
C 1.871812 -6.880074 -0.280819
C 3.063780 -6.160517 -0.033792
C 2.591114 6.505825 0.531497
C 4.393196 4.852652 0.441135
C 3.917689 6.124512 0.838919
H -3.016208 0.011473 1.408652
H -3.581382 -1.098343 0.133101
H -3.032004 1.924697 -0.242112
H -3.541876 0.824770 -1.536424
H -1.493023 -0.640546 -1.202869
H -5.174863 1.432681 1.039752
H -5.676196 0.312867 -0.248087
H -5.601982 2.253889 -1.900007
H -5.186158 3.345342 -0.550229
H -0.211174 0.759726 1.093743
H -7.734621 1.781066 -0.584195
H -7.574113 3.465455 -0.712436
H -1.553704 -5.268306 1.295204
H -0.689159 -3.896508 2.095777
H 0.470688 3.912911 -1.815688
H 1.847282 2.796981 -2.073558
H 1.705668 -3.386323 1.495699
H -0.296609 -6.902512 -0.083463
H 0.715277 5.913675 -0.404411
H 3.914488 2.982999 -0.568259
H 3.923513 -4.341173 0.805234
H 1.913509 -7.857536 -0.774357
H 4.030690 -6.577554 -0.336876
H 2.218833 7.490421 0.835552
H 5.420985 4.553979 0.675581
H 4.575967 6.812703 1.381067


